SmoPSI: Analysis and Prediction of Small Molecule Binding Sites Based on Protein Sequence Information

<div>The sliding window sampling of protein sequences. A residue on the protein sequence is used as the center point, with <svg height="11.5564pt" id="M3" style="vertical-align:-2.26807pt" version="1.1" viewbox="-0.0498162 -9.28833 49.7935 11.5564" width="49.7935pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M300 -147C201 -63 143 98 143 270S200 602 300 686L282 710C136 610 70 450 70 271V270C70 89 136 -72 282 -170L300 -147Z"></path></g><g transform="matrix(.013,0,0,-0.013,4.498,0)"><path d="M689 332C689 394 670 448 646 448C620 448 597 421 597 396C597 386 600 381 608 372C619 359 620 334 620 315C620 150 538 45 454 45C414 45 386 67 386 122C386 138 388 158 394 180L457 426L452 432L377 416L315 156C302 100 259 45 216 45C176 45 148 67 148 122C148 133 152 158 156 180C162 212 173 259 194 332C201 357 206 384 206 405C206 430 198 448 174 448C125 448 66 406 23 342L43 319C84 368 110 383 121 383C126 383 128 382 128 377C128 370 127 359 122 343C99 268 84 204 77 156C74 137 70 111 70 104C70 25 125 -12 180 -12C228 -12 276 12 319 50C338 8 378 -12 418 -12C549 -12 689 166 689 332Z"></path></g><g transform="matrix(.013,0,0,-0.013,16.661,0)"><path d="M535 230V280H52V230H535Z"></path></g><g transform="matrix(.013,0,0,-0.013,27.197,0)"><path d="M384 0V27C293 34 287 42 287 114V635C232 613 172 594 109 583V559L157 557C201 555 205 550 205 499V114C205 42 199 34 109 27V0H384Z"></path></g><g transform="matrix(.013,0,0,-0.013,33.437,0)"><path d="M275 270C275 450 212 609 64 710L45 686C145 604 203 442 203 270S147 -63 45 -147L64 -170C213 -68 275 89 275 270Z"></path></g><g transform="matrix(.013,0,0,-0.013,37.935,0)"><path d="M368 703H309L44 -163H104L368 703Z"></path></g><g transform="matrix(.013,0,0,-0.013,43.296,0)"><path d="M412 140C382 77 369 73 315 73H129L270 222C362 320 402 379 402 466C402 571 322 635 234 635C177 635 130 609 99 576L42 495L64 475C90 514 133 568 201 568C274 568 318 519 318 435C318 349 255 267 193 193C144 135 87 78 32 23V0H405C417 45 427 89 440 131L412 140Z"></path></g></svg> as the boundary, and then the extracted matrix is the feature of the central residue. The features are extracted matrix of the entire protein sequence in the sliding.</div>

Computational and Mathematical Methods in Medicine

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Figure 1

Figure 1: SmoPSI: Analysis and Prediction of Small Molecule Binding Sites Based on Protein Sequence Information 